For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Caffeic acid
SpectraBase Compound ID EId8scFWYs0
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4fm3i8YUnIZ
Name 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
CAS Registry Number 331-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Weight 180.159 g/mol
SMILES Oc1cc(ccc1O)\C=C\C(=O)O
SPLASH splash10-01qi-9800000000-569396a01b3e7cddcab4
Source of Spectrum EP-2448-0-0
Synonyms Cinnamic acid, 3,4-dihydroxy- (2E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid (E)-3-(3,4-dihydroxyphenyl)acrylic acid (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid 3,4-Dihydroxybenzeneacrylic acid 3-(3,4-Dihydroxyphenyl)propenoic acid 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene Caffeate Caffeic acid cis-Caffeic acid CCRIS 847 EINECS 206-361-2 HSDB 7088 NSC 57197
Wiley ID 1175923